EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:80168 - 1',2'-Dihydrochlorobactene
| Formula | C40H54 |
| Net Charge | 0 |
| Average Mass | 534.872 |
| Monoisotopic Mass | 534.42255 |
| SMILES | CC(/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C |
| InChI | InChI=1S/C40H54/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-30-40-38(9)29-28-37(8)39(40)10/h11-12,14-16,18-19,21-31H,13,17,20H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,30-27+,32-18+,33-19+,34-23+,35-24+,36-26+ |
| InChIKey | QEIVSWXZEWDIPZ-IQAIWTHGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1',2'-Dihydrochlorobactene (CHEBI:80168) is a triterpenoid (CHEBI:36615) |